Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces F Abild-Pedersen, JP Greeley, F Studt, J Rossmeisl, TR Fronczek-Munter, ... Physical review letters 99 (1), 016105, 2007 | 1591 | 2007 |
A theoretical evaluation of possible transition metal electro-catalysts for N 2 reduction E Skulason, T Bligaard, S Gudmundsdóttir, F Studt, J Rossmeisl, ... Physical Chemistry Chemical Physics 14 (3), 1235-1245, 2012 | 1331 | 2012 |
Modeling the electrochemical hydrogen oxidation and evolution reactions on the basis of density functional theory calculations E Skúlason, V Tripkovic, ME Björketun, S Gudmundsdóttir, G Karlberg, ... The Journal of Physical Chemistry C 114 (42), 18182-18197, 2010 | 1199 | 2010 |
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt (111) electrode E Skúlason, GS Karlberg, J Rossmeisl, T Bligaard, J Greeley, H Jónsson, ... Physical Chemistry Chemical Physics 9 (25), 3241-3250, 2007 | 845 | 2007 |
The oxygen reduction reaction mechanism on Pt (1 1 1) from density functional theory calculations V Tripković, E Skúlason, S Siahrostami, JK Nørskov, J Rossmeisl Electrochimica Acta 55 (27), 7975-7981, 2010 | 617 | 2010 |
Universal transition state scaling relations for (de) hydrogenation over transition metals S Wang, V Petzold, V Tripkovic, J Kleis, JG Howalt, E Skulason, ... Physical Chemistry Chemical Physics 13 (46), 20760-20765, 2011 | 438 | 2011 |
Modeling the electrified solid–liquid interface J Rossmeisl, E Skúlason, ME Björketun, V Tripkovic, JK Nørskov Chemical Physics Letters 466 (1-3), 68-71, 2008 | 417 | 2008 |
Electroreduction of N2 to Ammonia at Ambient Conditions on Mononitrides of Zr, Nb, Cr, and V: A DFT Guide for Experiments Y Abghoui, AL Garden, JG Howalt, T Vegge, E Skúlason Acs Catalysis 6 (2), 635-646, 2016 | 373 | 2016 |
Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design Y Abghoui, AL Garden, VF Hlynsson, S Björgvinsdóttir, H Ólafsdóttir, ... Physical Chemistry Chemical Physics 17 (7), 4909-4918, 2015 | 298 | 2015 |
Calculations of Product Selectivity in Electrochemical CO2 Reduction J Hussain, H Jónsson, E Skúlason Acs Catalysis 8 (6), 5240-5249, 2018 | 235 | 2018 |
Predicting catalysis: Understanding ammonia synthesis from first-principles calculations A Hellman, EJ Baerends, M Biczysko, T Bligaard, CH Christensen, ... The Journal of Physical Chemistry B 110 (36), 17719-17735, 2006 | 231 | 2006 |
Cyclic voltammograms for H on Pt (111) and Pt (100) from first principles GS Karlberg, TF Jaramillo, E Skulason, J Rossmeisl, T Bligaard, ... Physical review letters 99 (12), 126101, 2007 | 230 | 2007 |
Hydrogen adsorption on palladium and palladium hydride at 1 bar M Johansson, E Skulason, G Nielsen, S Murphy, RM Nielsen, ... Surface science 604 (7-8), 718-729, 2010 | 211 | 2010 |
Onset potentials for different reaction mechanisms of nitrogen activation to ammonia on transition metal nitride electro-catalysts Y Abghoui, E Skúlason Catalysis Today 286, 69-77, 2017 | 197 | 2017 |
Hydrogenation of CO2 to Methanol by Pt Nanoparticles Encapsulated in UiO-67: Deciphering the Role of the Metal–Organic Framework ES Gutterød, A Lazzarini, T Fjermestad, G Kaur, M Manzoli, S Bordiga, ... Journal of the American Chemical Society 142 (2), 999-1009, 2019 | 162 | 2019 |
Standard hydrogen electrode and potential of zero charge in density functional calculations V Tripkovic, ME Björketun, E Skúlason, J Rossmeisl Physical Review B 84 (11), 115452, 2011 | 155 | 2011 |
Electrochemical synthesis of ammonia via Mars-van Krevelen mechanism on the (111) facets of group III–VII transition metal mononitrides Y Abghoui, E Skúlason Catalysis Today 286, 78-84, 2017 | 151 | 2017 |
Hydrogen evolution reaction catalyzed by transition-metal nitrides Y Abghoui, E Skúlason The Journal of Physical Chemistry C 121 (43), 24036-24045, 2017 | 142 | 2017 |
A systematic DFT study of hydrogen diffusion on transition metal surfaces L Kristinsdóttir, E Skúlason Surface science 606 (17-18), 1400-1404, 2012 | 141 | 2012 |
Computational Screening of Rutile Oxides for Electrochemical Ammonia Formation ÁB Höskuldsson, Y Abghoui, AB Gunnarsdóttir, E Skúlason ACS Sustainable Chemistry & Engineering 5 (11), 10327-10333, 2017 | 135* | 2017 |